3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)

C144H171Br2Cl8F2N6O6Si3W3-3 — CID 165033731

About 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide) (PubChem CID 165033731) has the molecular formula C144H171Br2Cl8F2N6O6Si3W3-3 and a molecular weight of 3199.19 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide).

Molecular Properties

• Compound Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)
• PubChem CID: 165033731
• Molecular Formula: C144H171Br2Cl8F2N6O6Si3W3-3
• Molecular Weight: 3199.19 g/mol
• Exact Mass: 3191.70
• IUPAC Name: 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)
• SMILES: CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C)[Si](C)(C)Oc1c(Cl)cc2c(c1-c1c(O)c(Cl)cc3c1CCCC3)CCCC2.CC(C)(C)[Si](C)(C)Oc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1
• InChI: InChI=1S/C26H34Br2O2Si.C26H34Cl2O2Si.C26H34F2O2Si.3C10H12.3C6H3Cl2N.3C6H8N.3W/c3*1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;3*1-10(2,3)9-7-5-4-6-8-9;3*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;;;/h3*14-15,29H,6-13H2,1-5H3;3*1,4-8H,2-3H3;3*1-3H;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1
• InChIKey: DUYUYPMCUHVHSX-UHFFFAOYSA-N
• XLogP: 45.51
• TPSA: 167.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3199.19
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)?

The IUPAC name of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide) (CID 165033731) is 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide).

What is the SMILES notation for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)?

The canonical SMILES for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide) is CC(C)(C)[Si](C)(C)Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2.CC(C)(C)[Si](C)(C)Oc1c(Cl)cc2c(c1-c1c(O)c(Cl)cc3c1CCCC3)CCCC2.CC(C)(C)[Si](C)(C)Oc1c(F)cc2c(c1-c1c(O)c(F)cc3c1CCCC3)CCCC2.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.CC(C)(C=[W]=Nc1c(Cl)cccc1Cl)c1ccccc1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.

What is the InChIKey of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)?

The InChIKey is DUYUYPMCUHVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Br2O2Si.C26H34Cl2O2Si.C26H34F2O2Si.3C10H12.3C6H3Cl2N.3C6H8N.3W/c3*1-26(2,3)31(4,5)30-25-21(28)15-17-11-7-9-13-19(17)23(25)22-18-12-8-6-10-16(18)14-20(27)24(22)29;3*1-10(2,3)9-7-5-4-6-8-9;3*7-4-2-1-3-5(8)6(4)9;3*1-5-3-4-6(2)7-5;;;/h3*14-15,29H,6-13H2,1-5H3;3*1,4-8H,2-3H3;3*1-3H;3*3-4H,1-2H3;;;/q;;;;;;;;;3*-1;;;.

What are the key properties of 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide)?

3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide) has a molecular weight of 3199.19 g/mol, XLogP of 45.51, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol;1-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide) is sourced from PubChem (CID 165033731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).